CID 229427

S-ethyl ethanesulfinothioate

Structural Information

Molecular Formula

C₄H₁₀OS₂

SMILES

CCSS(=O)CC

InChI

InChI=1S/C4H10OS2/c1-3-6-7(5)4-2/h3-4H2,1-2H3

InChIKey

FIWQKOIUXFENIV-UHFFFAOYSA-N

Compound name

1-ethylsulfinylsulfanylethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 33
Patents: 138.0173 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	139.024576	123.7
[M+Na]+	161.006518	131.5
[M-H]-	137.010024	124.2
[M+NH4]+	156.051123	145.9
[M+K]+	176.980458	129.4
[M+H-H2O]+	121.014560	118.9
[M+HCOO]-	183.015501	135.8
[M+CH3COO]-	197.031151	172.3
[M+Na-2H]-	158.991966	124.3
[M]+	138.01675142	126.9
[M]-	138.01784858	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe